167 related articles for article (PubMed ID: 22588584)
1. NMR and NQR study of Si-doped (6,0) zigzag single-walled aluminum nitride nanotube as n or P-semiconductors.
Baei MT; Peyghan AA; Tavakoli K; Babaheydari AK; Moghimi M
J Mol Model; 2012 Sep; 18(9):4427-36. PubMed ID: 22588584
[TBL] [Abstract][Full Text] [Related]
2. NMR and NQR parameters of the SiC-doped on the (4,4) armchair single-walled BPNT: a computational study.
Baei MT; Sayyad-Alangi SZ; Moradi AV; Torabi P
J Mol Model; 2012 Mar; 18(3):881-9. PubMed ID: 21625895
[TBL] [Abstract][Full Text] [Related]
3. Electric field effect on (6,0) zigzag single-walled aluminum nitride nanotube.
Baei MT; Peyghan AA; Moghimi M
J Mol Model; 2012 Sep; 18(9):4477-89. PubMed ID: 22643968
[TBL] [Abstract][Full Text] [Related]
4. Sensing behavior of Al-rich AlN nanotube toward hydrogen cyanide.
Beheshtian J; Peyghan AA; Bagheri Z
J Mol Model; 2013 Jun; 19(6):2197-203. PubMed ID: 23354475
[TBL] [Abstract][Full Text] [Related]
5. A computational study of atomic oxygen-doped silicon carbide nanotubes.
Mirzaei M; Mirzaei M
J Mol Model; 2011 Mar; 17(3):527-31. PubMed ID: 20512515
[TBL] [Abstract][Full Text] [Related]
6. Electronic sensor for sulfide dioxide based on AlN nanotubes: a computational study.
Beheshtian J; Baei MT; Peyghan AA; Bagheri Z
J Mol Model; 2012 Oct; 18(10):4745-50. PubMed ID: 22678082
[TBL] [Abstract][Full Text] [Related]
7. Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles study.
Azam MA; Alias FM; Tack LW; Seman RNAR; Taib MFM
J Mol Graph Model; 2017 Aug; 75():85-93. PubMed ID: 28531817
[TBL] [Abstract][Full Text] [Related]
8. Tuning the field emission and electronic properties of silicon nanocones by Al and P doping: DFT studies.
Saedi L; Maskanati M; Modheji M; Soleymanabadi H
J Mol Graph Model; 2018 May; 81():168-174. PubMed ID: 29558668
[TBL] [Abstract][Full Text] [Related]
9. Carbon doped boron phosphide nanotubes: a computational study.
Mirzaei M
J Mol Model; 2011 Jan; 17(1):89-96. PubMed ID: 20379754
[TBL] [Abstract][Full Text] [Related]
10. Exploring Carbon Monoxide and Carbon Dioxide Adsorption on (5,5) Aluminum Nitride Nanotubes for Enhanced Sensor Applications: A DFT Study.
Suleiman N; Apalangya VA; Mensah B; Kan-Dapaah K; Yaya A
Molecules; 2024 Jan; 29(3):. PubMed ID: 38338302
[TBL] [Abstract][Full Text] [Related]
11. Structures and electron affinities of triatomic molecules consisting of Al, P and X (X = B, Al, Ga; C, Si, Ge; N, P, As; O, S and Se).
Hu T; Zhang C; Ren F; Ren J; Jia W
J Mol Model; 2009 Feb; 15(2):157-63. PubMed ID: 19043749
[TBL] [Abstract][Full Text] [Related]
12. DFT study of zigzag (n, 0) single-walled carbon nanotubes: (13)C NMR chemical shifts.
Kupka T; Stachów M; Stobiński L; Kaminský J
J Mol Graph Model; 2016 Jun; 67():14-9. PubMed ID: 27155813
[TBL] [Abstract][Full Text] [Related]
13. Nonlinear optical properties of aluminum nitride nanotubes doped by excess electron: a first principle study.
Yuan TM; Liu SL; Liu ZB; Wang X; Li WZ; Cheng JB; Li QZ
J Mol Model; 2018 Jul; 24(8):205. PubMed ID: 30008049
[TBL] [Abstract][Full Text] [Related]
14. Aluminium siting in the ZSM-5 framework by combination of high resolution 27Al NMR and DFT/MM calculations.
Sklenak S; Dedecek J; Li C; Wichterlová B; Gábová V; Sierka M; Sauer J
Phys Chem Chem Phys; 2009 Feb; 11(8):1237-47. PubMed ID: 19209368
[TBL] [Abstract][Full Text] [Related]
15. Phase transition study of confined water molecules inside carbon nanotubes: hierarchical multiscale method from molecular dynamics simulation to ab initio calculation.
Javadian S; Taghavi F; Yari F; Hashemianzadeh SM
J Mol Graph Model; 2012 Sep; 38():40-9. PubMed ID: 23085156
[TBL] [Abstract][Full Text] [Related]
16. Explaining the effects of T-O-T bond angles on NMR chemical shifts in aluminosilicates: A natural bonding orbital (NBO) and natural chemical shielding (NCS) analysis.
Liu Y; Nekvasil H; Tossell J
J Phys Chem A; 2005 Apr; 109(13):3060-6. PubMed ID: 16833630
[TBL] [Abstract][Full Text] [Related]
17. Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction.
Chen Y; Gao B; Zhao JX; Cai QH; Fu HG
J Mol Model; 2012 May; 18(5):2043-54. PubMed ID: 21881853
[TBL] [Abstract][Full Text] [Related]
18. Density functional study on size-dependent structures, stabilities, electronic and magnetic properties of Au(n)M (M = Al and Si, n = 1-9) clusters: comparison with pure gold clusters.
Li YF; Mao AJ; Li Y; Kuang XY
J Mol Model; 2012 Jul; 18(7):3061-72. PubMed ID: 22167528
[TBL] [Abstract][Full Text] [Related]
19. A theoretical study of silicon-doped boron nitride nanotubes serving as a potential chemical sensor for hydrogen cyanide.
Wang R; Zhang D; Liu Y; Liu C
Nanotechnology; 2009 Dec; 20(50):505704. PubMed ID: 19923655
[TBL] [Abstract][Full Text] [Related]
20. Spin-lattice relaxation in aluminum-doped semiconducting 4H and 6H polytypes of silicon carbide.
Hartman JS; Berno B; Hazendonk P; Hens P; Ye E; Bain AD
Solid State Nucl Magn Reson; 2012; 45-46():45-50. PubMed ID: 22727848
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
